N-(2-bromo-4-methylphenyl)-5-ethylthiophene-3-carboxamide

C14H14BrNOS — CID 841870

IUPACN-(2-bromo-4-methylphenyl)-5-ethylthiophene-3-carboxamide
SMILESCCc1cc(C(=O)Nc2ccc(C)cc2Br)cs1
InChIInChI=1S/C14H14BrNOS/c1-3-11-7-10(8-18-11)14(17)16-13-5-4-9(2)6-12(13)15/h4-8H,3H2,1-2H3,(H,16,17)
InChIKeyZUEIOSCQBDNEHP-UHFFFAOYSA-N
MW324.24 g/mol
LogP4.63
Rot. Bonds3

About N-(2-bromo-4-methylphenyl)-5-ethylthiophene-3-carboxamide

N-(2-bromo-4-methylphenyl)-5-ethylthiophene-3-carboxamide (PubChem CID 841870) has the molecular formula C14H14BrNOS and a molecular weight of 324.24 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-5-ethylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-5-ethylthiophene-3-carboxamide
PubChem CID841870
Molecular FormulaC14H14BrNOS
Molecular Weight324.24 g/mol
Exact Mass323.00
IUPAC NameN-(2-bromo-4-methylphenyl)-5-ethylthiophene-3-carboxamide
SMILESCCc1cc(C(=O)Nc2ccc(C)cc2Br)cs1
InChIInChI=1S/C14H14BrNOS/c1-3-11-7-10(8-18-11)14(17)16-13-5-4-9(2)6-12(13)15/h4-8H,3H2,1-2H3,(H,16,17)
InChIKeyZUEIOSCQBDNEHP-UHFFFAOYSA-N
XLogP4.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.24
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Tibrofan
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CID 531926
N-(4-acetylphenyl)thiophene-2-carboxamide
CID 573780
4-[(Thiophen-2-ylacetyl)amino]benzamide
CID 670145
5-bromo-N-(2,3-dihydro-1H-inden-5-yl)thiophene-2-carboxamide
CID 1246339
N-(4-bromo-3-methylphenyl)-2-(thiophen-3-yl)acetamide
CID 2486757
N-(4-tert-butylphenyl)thiophene-3-carboxamide
CID 2815544
N-(4-bromophenyl)-5-methylthiophene-3-carboxamide
CID 2970340
(E)-3-(5-bromothiophen-2-yl)-1-[4-(methylamino)phenyl]prop-2-en-1-one
CID 44435182
N-{3-[(4-bromobenzoyl)amino]phenyl}-2-thiophenecarboxamide
CID 1273132

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-5-ethylthiophene-3-carboxamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-5-ethylthiophene-3-carboxamide (CID 841870) is N-(2-bromo-4-methylphenyl)-5-ethylthiophene-3-carboxamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-5-ethylthiophene-3-carboxamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-5-ethylthiophene-3-carboxamide is CCc1cc(C(=O)Nc2ccc(C)cc2Br)cs1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-5-ethylthiophene-3-carboxamide?
The InChIKey is ZUEIOSCQBDNEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNOS/c1-3-11-7-10(8-18-11)14(17)16-13-5-4-9(2)6-12(13)15/h4-8H,3H2,1-2H3,(H,16,17).
What are the key properties of N-(2-bromo-4-methylphenyl)-5-ethylthiophene-3-carboxamide?
N-(2-bromo-4-methylphenyl)-5-ethylthiophene-3-carboxamide has a molecular weight of 324.24 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-5-ethylthiophene-3-carboxamide is sourced from PubChem (CID 841870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).